2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol

C14H14ClNOS — CID 66154495

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol
SMILESCc1ccnc(C(O)CSc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-10-6-7-16-12(8-10)13(17)9-18-14-5-3-2-4-11(14)15/h2-8,13,17H,9H2,1H3
InChIKeyOKBXRCFCLIYWDD-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.87
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol

2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol (PubChem CID 66154495) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol
PubChem CID66154495
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol
SMILESCc1ccnc(C(O)CSc2ccccc2Cl)c1
InChIInChI=1S/C14H14ClNOS/c1-10-6-7-16-12(8-10)13(17)9-18-14-5-3-2-4-11(14)15/h2-8,13,17H,9H2,1H3
InChIKeyOKBXRCFCLIYWDD-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107504561
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
2-(2-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 60725965
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(2-bromophenyl)-1-(4-methyl-2-pyridinyl)ethanol
CID 63839071
4-methyl-3-(4-methyl-2-pyridinyl)pentan-2-ol
CID 63200160
3-(2-chlorophenyl)sulfanylpropane-1,2-diol
CID 78912037
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol (CID 66154495) is 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol is Cc1ccnc(C(O)CSc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol?
The InChIKey is OKBXRCFCLIYWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10-6-7-16-12(8-10)13(17)9-18-14-5-3-2-4-11(14)15/h2-8,13,17H,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol?
2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol has a molecular weight of 279.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 66154495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).